Temperature Dependence of Short and Intermediate Range Order in Molten MgCl2 and its Mixture with KCl

The Journal of Physical Chemistry. B
Fei WuClaudio J Margulis

Abstract

This article addresses the non-Debye-Waller temperature behavior in the intermediate range order for molten MgCl2 and its mixtures with KCl from a theory, Molecular Dynamics and experimental X-ray scattering perspective and puts these findings in the context of discussions and controversies extending at least four decades. We find that these liquids are defined by two structural motifs. The first motif is associated with chains of positive-negative charge alternation; the second motif, which results in a prepeak in the structure function S(q), is associated with the interaction of Mg2+ and Cl- ions that do not belong to the same charge alternation chain or aggregate. Our complementary X-ray scattering and computational results provide a quantitative explanation for the increase in intensity of the prepeak with temperature as opposed to the behavior of other peaks following normal Debye-Waller behavior. Temperature has opposite effects on the prevalence of each of the two structural motifs, and the enhancement of one pattern appears to be at the detriment of the other. Whereas the intensity in S(q) associated with the charge alternation motif is diminished at higher temperature the opposite is true for the prepeak associated wit...Continue Reading

References

Oct 1, 1995·Physical Review. B, Condensed Matter·J SwensonW S Howells
May 1, 1991·Physical Review. B, Condensed Matter·S SusmanD L Price
Apr 3, 1989·Physical Review Letters·P VashishtaI Ebbsjö
Nov 17, 2010·The Journal of Physical Chemistry. B·Harsha V R AnnapureddyClaudio J Margulis
Mar 30, 2012·Faraday Discussions·Hemant K KashyapEdward W Castner
Apr 24, 2012·Chemical Communications : Chem Comm·Hemant K KashyapClaudio J Margulis
Dec 24, 2013·The Journal of Physical Chemistry. B·Karina ShimizuJosé N Canongia Lopes
Aug 27, 2014·The Journal of Physical Chemistry. B·Jeevapani J HettigeClaudio J Margulis
Aug 6, 2015·The Journal of Physical Chemistry. B·Juan C AraqueClaudio J Margulis
Jan 3, 2013·The Journal of Physical Chemistry Letters·Jeevapani J HettigeClaudio J Margulis
Jul 17, 2016·The Journal of Chemical Physics·Kamal B DhunganaEdward W Castner
Sep 9, 2016·The Journal of Physical Chemistry Letters·Weththasinghage Don AmithClaudio J Margulis
Jan 20, 2017·Journal of Computational Chemistry·Carlos E S Bernardes
Nov 19, 2019·The Journal of Physical Chemistry Letters·Fei WuClaudio J Margulis

❮ Previous
Next ❯

Citations

Jul 10, 2020·The Journal of Chemical Physics·Ryan S DeFeverEdward J Maginn
Aug 28, 2020·Physical Chemistry Chemical Physics : PCCP·Santanu RoyVyacheslav S Bryantsev
May 27, 2021·The Journal of Physical Chemistry. B·Santanu RoyVyacheslav S Bryantsev
Aug 26, 2020·The Journal of Physical Chemistry. a·Shobha SharmaClaudio J Margulis
Jan 13, 2021·ACS Applied Materials & Interfaces·Wenshuo LiangJianguo Yu
Sep 10, 2021·Journal of the American Chemical Society·Santanu RoyVyacheslav S Bryantsev
Sep 21, 2021·The Journal of Physical Chemistry. a·Ryan S DeFever, Edward J Maginn

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.